Name: 2-[(4-acetylpiperazin-1-yl)carbonyl]-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CC(=O)N1CCN(C(=O)c2nc3c(C#N)c(C)c(-c4ccccc4)c(F)c3o2)CC1Molecular Processing
Molecular formula
C22H19FN4O3
Molecular weight
406.42
Exact mass
406.1441
XLogP
3.12
TPSA
90.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.01
Supplementary Information
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